-
2
-
-
0031153727
-
Globus: A metacomputing infrastructure toolkit
-
I. Foster and C. Kesselman. Globus: A metacomputing infrastructure toolkit. Int. J. Scientific Applications, 11(2):115-128, 1997.
-
(1997)
Int. J. Scientific Applications
, vol.11
, Issue.2
, pp. 115-128
-
-
Foster, I.1
Kesselman, C.2
-
3
-
-
35248865397
-
-
Legion. University of Virginia. Charlottesville. VA USA
-
Legion. University of Virginia. Charlottesville. VA USA Http://legion.virginia.edu.
-
-
-
-
5
-
-
0011962877
-
-
Gaussian Inc., Pittsburgh PA. USA
-
GaussView. Gaussian Inc., Pittsburgh PA. USA. 2000.
-
(2000)
GaussView
-
-
-
6
-
-
35248818443
-
-
Tripos Inc. St. Louis. USA
-
Tripos. Tripos Inc. St. Louis. USA.
-
Tripos
-
-
-
7
-
-
33646500074
-
-
Accelerys, San Diego. USA
-
2. Accelerys, San Diego. USA.
-
2
-
-
-
8
-
-
35248831776
-
-
Webmo. http://www.webmo.net.
-
-
-
-
9
-
-
0004133516
-
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, P. Salvador, J. J. Dannenberg, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle, and J. A. Pople. Gaussian 98. 2001.
-
(2001)
Gaussian 98
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery Jr., J.A.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Salvador, P.30
Dannenberg, J.J.31
Malick, D.K.32
Rabuck, A.D.33
Raghavachari, K.34
Foresman, J.B.35
Cioslowski, J.36
Ortiz, J.V.37
Baboul, A.G.38
Stefanov, B.B.39
Liu, G.40
Liashenko, A.41
Piskorz, P.42
Komaromi, I.43
Gomperts, R.44
Martin, R.L.45
Fox, D.J.46
Keith, T.47
Al-Laham, M.A.48
Peng, C.Y.49
Nanayakkara, A.50
Challacombe, M.51
Gill, P.M.W.52
Johnson, B.53
Chen, W.54
Wong, M.W.55
Andres, J.L.56
Gonzalez, C.57
Head-Gordon, M.58
Replogle, E.S.59
Pople, J.A.60
more..
-
10
-
-
84893169025
-
General atomic and molecular electronic structure system
-
M. W. Schmidt, K. K. Baldridge, J. A. Boatz, M. S. Gordon S. T. Elbert, J. H. Jensen, S. Koseki, N. Matsunaga, K. A. Nguyen, S. J. Su, T. L. Windus, M. Dupuis, and J. A. Montgomery. General atomic and molecular electronic structure system. J. Comput. Chem., 14:1347-1363, 1993.
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 1347-1363
-
-
Schmidt, M.W.1
Baldridge, K.K.2
Boatz, J.A.3
Gordon, M.S.4
Elbert, S.T.5
Jensen, J.H.6
Koseki, S.7
Matsunaga, N.8
Nguyen, K.A.9
Su, S.J.10
Windus, T.L.11
Dupuis, M.12
Montgomery, J.A.13
-
11
-
-
0001100374
-
Semi-empirical calculations of molecular trajectories: Method and applications to some simple molecular systems
-
J. J. P. Stewart, L. P. Davis, and L. W. Burggraf. Semi-empirical calculations of molecular trajectories: method and applications to some simple molecular systems. J. Comp. Chem., 8(8):117-23, 1987.
-
(1987)
J. Comp. Chem.
, vol.8
, Issue.8
, pp. 117-123
-
-
Stewart, J.J.P.1
Davis, L.P.2
Burggraf, L.W.3
-
12
-
-
0003145379
-
Biocore: A collaboratory for structural biology
-
A. G. Bruzzone, A. Uchrmacher, and E. H. Page, editors, San Francisco, California
-
M. Bhandarkar, G. Budescu, W. F. Humphrey, J. A. Izaguirre, S. Izrailev, L. V. Kal, D. Kosztin, F. Molnar, J. C. Phillips, and K. Schulten. Biocore: A collaboratory for structural biology. In A. G. Bruzzone, A. Uchrmacher, and E. H. Page, editors, Proceedings of the SCS International Conference on Web-Based Modeling and Simulation. San Francisco, California, 1999.
-
(1999)
Proceedings of the SCS International Conference on Web-Based Modeling and Simulation
-
-
Bhandarkar, M.1
Budescu, G.2
Humphrey, W.F.3
Izaguirre, J.A.4
Izrailev, S.5
Kal, L.V.6
Kosztin, D.7
Molnar, F.8
Phillips, J.C.9
Schulten, K.10
-
13
-
-
0042415783
-
Namd2: Greater scalability for parallel molecular dynamics
-
L. Kal, R. Skeel, M. Bhandarkar, R. Brunner, A. Gursoy, N. Krawetz, J. Phillips, A. Shinozaki, K. Varadarajan, and K. Schulten. Namd2: Greater scalability for parallel molecular dynamics. J. Comp. Phys., 151:283-312, 1999.
-
(1999)
J. Comp. Phys.
, vol.151
, pp. 283-312
-
-
Kal, L.1
Skeel, R.2
Bhandarkar, M.3
Brunner, R.4
Gursoy, A.5
Krawetz, N.6
Phillips, J.7
Shinozaki, A.8
Varadarajan, K.9
Schulten, K.10
-
14
-
-
84893499062
-
-
UNICORE. Unicore Forum, http://www.unicore.org.
-
Unicore Forum
-
-
-
18
-
-
84986512474
-
A program for macromolecular energy, minimization, and dynamics calculations
-
B. R. Brooks, R. E. Bruccoleri, B. D. Olafson, D. J. States, S. Swaminathan, and M. Karplus. A program for macromolecular energy, minimization, and dynamics calculations. J. Comp. Chem., 4:187-217, 1983.
-
(1983)
J. Comp. Chem.
, vol.4
, pp. 187-217
-
-
Brooks, B.R.1
Bruccoleri, R.E.2
Olafson, B.D.3
States, D.J.4
Swaminathan, S.5
Karplus, M.6
-
20
-
-
35248880696
-
-
CPMD consortium, http://www.cpmd.org.
-
-
-
-
21
-
-
84949635968
-
Supporting Car-Parrinello Molecular Dynamics with Unicore
-
Springer Verlag
-
V. Huber. Supporting Car-Parrinello Molecular Dynamics with Unicore. In Computational Science ICCS - San Francisco, USA, Proceedings, Pt. 1, volume 2073, pages 560-567. Springer Verlag, 2001.
-
(2001)
Computational Science ICCS - San Francisco, USA, Proceedings, Pt. 1
, vol.2073
, pp. 560-567
-
-
Huber, V.1
-
22
-
-
0033954256
-
The Protein Data Bank
-
H. M. Berman, J. Westbrook, Z. Feng, G. Gilliland, T. N. Bhat, H. Weissig, I. N. Shindyalov and P. E. Bourne. The Protein Data Bank. Nucleic Acids Research, 28:235-242, 2000.
-
(2000)
Nucleic Acids Research
, vol.28
, pp. 235-242
-
-
Berman, H.M.1
Westbrook, J.2
Feng, Z.3
Gilliland, G.4
Bhat, T.N.5
Weissig, H.6
Shindyalov, I.N.7
Bourne, P.E.8
-
23
-
-
35248869363
-
-
http://www.ncbi.nlm.nih.gov.
-
-
-
-
24
-
-
35248901558
-
-
http://www.eurogrid.org.
-
-
-
|